methyl 2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O3S3 MolecularWeight: 448.5821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H20N4O3S3/c1-26-18(25)15-11-6-3-2-4-7-12(11)29-17(15)20-14(24)10-28-19-21-16(22-23-19)13-8-5-9-27-13/h5,8-9H,2-4,6-7,10H2,1H3,(H,20,24)(H,21,22,23)